(E)-3-(4-tert-butylphenyl)-N-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

C20H23NO3 — CID 10172003

IUPAC(E)-3-(4-tert-butylphenyl)-N-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)ccc1O
InChIInChI=1S/C20H23NO3/c1-20(2,3)15-8-5-14(6-9-15)7-12-19(23)21-16-10-11-17(22)18(13-16)24-4/h5-13,22H,1-4H3,(H,21,23)/b12-7+
InChIKeyKVNJBQQKZLZCBQ-KPKJPENVSA-N
MW325.41 g/mol
LogP4.35
Rot. Bonds4

About (E)-3-(4-tert-butylphenyl)-N-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

(E)-3-(4-tert-butylphenyl)-N-(4-hydroxy-3-methoxyphenyl)prop-2-enamide (PubChem CID 10172003) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-(4-hydroxy-3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
PubChem CID10172003
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)ccc1O
InChIInChI=1S/C20H23NO3/c1-20(2,3)15-8-5-14(6-9-15)7-12-19(23)21-16-10-11-17(22)18(13-16)24-4/h5-13,22H,1-4H3,(H,21,23)/b12-7+
InChIKeyKVNJBQQKZLZCBQ-KPKJPENVSA-N
XLogP4.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butylphenyl)-N-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-(4-hydroxy-3-methoxyphenyl)prop-2-enamide (CID 10172003) is (E)-3-(4-tert-butylphenyl)-N-(4-hydroxy-3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-(4-hydroxy-3-methoxyphenyl)prop-2-enamide is COc1cc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)ccc1O.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)-N-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The InChIKey is KVNJBQQKZLZCBQ-KPKJPENVSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2,3)15-8-5-14(6-9-15)7-12-19(23)21-16-10-11-17(22)18(13-16)24-4/h5-13,22H,1-4H3,(H,21,23)/b12-7+.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-(4-hydroxy-3-methoxyphenyl)prop-2-enamide has a molecular weight of 325.41 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylphenyl)-N-(4-hydroxy-3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 10172003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).